SCHEMBL7166806

SCHEMBL7166806

CCNCc1cnc(C)c(-c2ccc3[nH]nc(-c4nc5c(NC(C)=O)cccc5[nH]4)c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 10/20 0.51
CLK2 P49760 3/20 0.51
CLK3 P49761 3/20 0.51
DYRK1A Q13627 3/20 0.51
WNT1 P04628 6/20 0.49
TGFBR1 P36897 4/20 0.49
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5998342 0.85 MAP3K8 (0.69) MAP3K8CDK1CCNB1CCNA2CDK2
SCHEMBL15868962 0.73 WNT1 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL15868937 0.73 DYRK1A (0.73) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL15868972 0.72 DYRK1A (0.66) MAP3K8CLK2CLK3DYRK1AWNT1
SCHEMBL15868984 0.72 DYRK1A (0.68) MAP3K8CLK2CLK3DYRK1AWNT1
SCHEMBL15862526 0.72 CLK2 (0.68) MAP3K8CLK2CLK3DYRK1AWNT1
SCHEMBL15869000 0.71 WNT1 (0.84) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL5512304 0.71 MAP3K8 (0.69) MAP3K8CDK1CCNB1CCNA2CDK2
SCHEMBL15869102 0.71 WNT1 (0.82) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL5525177 0.70 MAP3K8 (0.57) MAP3K8CLK2CLK3DYRK1AWNT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6555539-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS 2003-04-29 US disclosed